2-(2,3-difluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazoline

C24H18F5N5 — CID 46096483

IUPAC2-(2,3-difluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazoline
SMILESFc1cccc(-c2nc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3ccccc3n2)c1F
InChIInChI=1S/C24H18F5N5/c25-18-6-3-5-17(21(18)26)22-31-19-7-2-1-4-16(19)23(32-22)34-12-10-33(11-13-34)20-9-8-15(14-30-20)24(27,28)29/h1-9,14H,10-13H2
InChIKeyUKYKCSVCHPKFEB-UHFFFAOYSA-N
MW471.43 g/mol
LogP5.32
Rot. Bonds3

About 2-(2,3-difluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazoline

2-(2,3-difluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazoline (PubChem CID 46096483) has the molecular formula C24H18F5N5 and a molecular weight of 471.43 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazoline
PubChem CID46096483
Molecular FormulaC24H18F5N5
Molecular Weight471.43 g/mol
Exact Mass471.15
IUPAC Name2-(2,3-difluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazoline
SMILESFc1cccc(-c2nc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3ccccc3n2)c1F
InChIInChI=1S/C24H18F5N5/c25-18-6-3-5-17(21(18)26)22-31-19-7-2-1-4-16(19)23(32-22)34-12-10-33(11-13-34)20-9-8-15(14-30-20)24(27,28)29/h1-9,14H,10-13H2
InChIKeyUKYKCSVCHPKFEB-UHFFFAOYSA-N
XLogP5.32
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.43
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dichlorophenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline
CID 46085043
1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 78782251
4-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]quinazoline
CID 25129008
1-(5-bromo-3-fluoro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 166605221
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3702315
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxamide
CID 4523705
2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914453
8-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
CID 155406860
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
2-(2,3-difluorophenyl)-N,N-dimethylquinazolin-4-amine
CID 59213691

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazoline?
The IUPAC name of 2-(2,3-difluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazoline (CID 46096483) is 2-(2,3-difluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 2-(2,3-difluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazoline?
The canonical SMILES for 2-(2,3-difluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazoline is Fc1cccc(-c2nc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3ccccc3n2)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazoline?
The InChIKey is UKYKCSVCHPKFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F5N5/c25-18-6-3-5-17(21(18)26)22-31-19-7-2-1-4-16(19)23(32-22)34-12-10-33(11-13-34)20-9-8-15(14-30-20)24(27,28)29/h1-9,14H,10-13H2.
What are the key properties of 2-(2,3-difluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazoline?
2-(2,3-difluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazoline has a molecular weight of 471.43 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 46096483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).